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The Journal of Chemical Physics
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April 23, 2018
Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions
Luiz F L Oliveira, Christopher D Fu, Jim Pfaendtner
Journal of Chemical Theory and Computation
|
August 5, 2018
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics
Arushi Prakash, Christopher D Fu, Massimiliano Bonomi, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
October 6, 2017
Investigating the Role of Phosphorylation in the Binding of Silaffin Peptide R5 to Silica with Molecular Dynamics Simulations
K G Sprenger, Arushi Prakash, Gary Drobny, et al.
Journal of Chemical Theory and Computation
|
February 18, 2017
Assessing Generic Collective Variables for Determining Reaction Rates in Metadynamics Simulations
Christopher D Fu, Luiz F L Oliveira, Jim Pfaendtner
Proceedings of the National Academy of Sciences of the United States of America
|
April 7, 2010
Actin filament remodeling by actin depolymerization factor/cofilin
Jim Pfaendtner, Enrique M De La Cruz, Gregory A Voth
Chemical Science
|
July 5, 2021
Attention-based generative models for <i>de novo</i> molecular design
Orion Dollar, Nisarg Joshi, David A C Beck, et al.
Biomacromolecules
|
February 15, 2018
Peptoid Backbone Flexibilility Dictates Its Interaction with Water and Surfaces: A Molecular Dynamics Investigation
Arushi Prakash, Marcel D Baer, Christopher J Mundy, et al.
Journal of Molecular Biology
|
November 26, 2009
Structure and dynamics of the actin filament
Jim Pfaendtner, Edward Lyman, Thomas D Pollard, et al.
The Journal of Physical Chemistry. B
|
April 8, 2016
Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids As Determined by Molecular Simulations
K G Sprenger, Alaksh Choudhury, Joel L Kaar, et al.
The Journal of Physical Chemistry. A
|
November 5, 2020
<i>The Journal of Physical Chemistry A</i>/<i>B</i>/<i>C</i> Virtual Special Issue on Machine Learning in Physical Chemistry
Andrew L Ferguson, Johannes Hachmann, Thomas F Miller, et al.
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of 13
Search research articles
Search
Showing results (51-60 of 126) with videos related to
Sort By:
Page
of 13
The Journal of Chemical Physics
|
April 23, 2018
Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions
Luiz F L Oliveira, Christopher D Fu, Jim Pfaendtner
Journal of Chemical Theory and Computation
|
August 5, 2018
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics
Arushi Prakash, Christopher D Fu, Massimiliano Bonomi, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
October 6, 2017
Investigating the Role of Phosphorylation in the Binding of Silaffin Peptide R5 to Silica with Molecular Dynamics Simulations
K G Sprenger, Arushi Prakash, Gary Drobny, et al.
Journal of Chemical Theory and Computation
|
February 18, 2017
Assessing Generic Collective Variables for Determining Reaction Rates in Metadynamics Simulations
Christopher D Fu, Luiz F L Oliveira, Jim Pfaendtner
Proceedings of the National Academy of Sciences of the United States of America
|
April 7, 2010
Actin filament remodeling by actin depolymerization factor/cofilin
Jim Pfaendtner, Enrique M De La Cruz, Gregory A Voth
Chemical Science
|
July 5, 2021
Attention-based generative models for <i>de novo</i> molecular design
Orion Dollar, Nisarg Joshi, David A C Beck, et al.
Biomacromolecules
|
February 15, 2018
Peptoid Backbone Flexibilility Dictates Its Interaction with Water and Surfaces: A Molecular Dynamics Investigation
Arushi Prakash, Marcel D Baer, Christopher J Mundy, et al.
Journal of Molecular Biology
|
November 26, 2009
Structure and dynamics of the actin filament
Jim Pfaendtner, Edward Lyman, Thomas D Pollard, et al.
The Journal of Physical Chemistry. B
|
April 8, 2016
Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids As Determined by Molecular Simulations
K G Sprenger, Alaksh Choudhury, Joel L Kaar, et al.
The Journal of Physical Chemistry. A
|
November 5, 2020
<i>The Journal of Physical Chemistry A</i>/<i>B</i>/<i>C</i> Virtual Special Issue on Machine Learning in Physical Chemistry
Andrew L Ferguson, Johannes Hachmann, Thomas F Miller, et al.
Page
of 13